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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'E3 ubiquitin-protein ligase SMURF1' and Ligand = 'BDBM331992'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
E3 ubiquitin-protein ligase SMURF1


(Homo sapiens (Human))
BDBM331992
PNG
(N-(2-cyclohexyl-1,5-dimethyl-3-oxo-2,3-dihydro-1H-...)
Show SMILES CC(C)[C@@H]1O[C@@H](CC=C1)c1onc(C(=O)Nc2c(C)n(C)n(C3CCCCC3)c2=O)c1C |r,c:7|
Show InChI InChI=1S/C24H34N4O4/c1-14(2)18-12-9-13-19(31-18)22-15(3)20(26-32-22)23(29)25-21-16(4)27(5)28(24(21)30)17-10-7-6-8-11-17/h9,12,14,17-19H,6-8,10-11,13H2,1-5H3,(H,25,29)/t18-,19+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 91n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
To determine the HECT E3 ligase selectivity of the compounds, a panel of biochemical HECT E3 ligase autoubiquitinylation assays was employed (Smurf-1...


US Patent US10195181 (2019)


BindingDB Entry DOI: 10.7270/Q28054Q2
More data for this
Ligand-Target Pair